4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide

C15H21N3O3 — CID 66249041

IUPAC4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)C1(C)COCC1N
InChIInChI=1S/C15H21N3O3/c1-15(9-21-8-12(15)16)14(20)17-11-7-5-4-6-10(11)13(19)18(2)3/h4-7,12H,8-9,16H2,1-3H3,(H,17,20)
InChIKeyVYLUXTPFUYMZOW-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.69
Rot. Bonds3

About 4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide

4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide (PubChem CID 66249041) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
PubChem CID66249041
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)C1(C)COCC1N
InChIInChI=1S/C15H21N3O3/c1-15(9-21-8-12(15)16)14(20)17-11-7-5-4-6-10(11)13(19)18(2)3/h4-7,12H,8-9,16H2,1-3H3,(H,17,20)
InChIKeyVYLUXTPFUYMZOW-UHFFFAOYSA-N
XLogP0.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide
CID 66250197
4-amino-N-[2-(methoxymethyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66248648
4-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249432
4-amino-N-(2,4-dimethylphenyl)-3-methyloxolane-3-carboxamide
CID 66248237
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249241
4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66248831
4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide
CID 66263329
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
4-amino-3-methyl-N-(naphthalen-1-ylmethyl)oxolane-3-carboxamide
CID 66263037
4-amino-3-methyl-N-(3-phenylmethoxypropyl)oxolane-3-carboxamide
CID 66251047
4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
CID 66250424

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide (CID 66249041) is 4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide is CN(C)C(=O)c1ccccc1NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide?
The InChIKey is VYLUXTPFUYMZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(9-21-8-12(15)16)14(20)17-11-7-5-4-6-10(11)13(19)18(2)3/h4-7,12H,8-9,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66249041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).